SCHEMBL2665548

SCHEMBL2665548

O=C(NCC(F)C(=O)O)c1ccc(CNc2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.51
GIPR P48546 14/20 0.51
GLP1R P43220 4/20 0.48
HDAC1 Q13547 1/20 0.39
PPARG P37231 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2648701 0.82 GCGR (0.58) GCGRGIPRGLP1RNPC1RAB9A
SCHEMBL9071343 0.81 GCGR (0.42) GCGRGIPRGLP1RHDAC1PPARG
SCHEMBL2665606 0.80 GCGR (0.66) GCGRGIPRGLP1RHDAC1
SCHEMBL2665614 0.78 GCGR (0.82) GCGRGIPRGLP1R
SCHEMBL2665558 0.78 GCGR (0.71) GCGRGIPRGLP1R
SCHEMBL2665585 0.78 GCGR (0.71) GCGRGIPRGLP1R
SCHEMBL9071732 0.78 GCGR (0.55) GCGRGIPRGLP1RNPC1RAB9A
SCHEMBL2653992 0.78 CA1 (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL2643601 0.78 CA1 (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL2649311 0.77 GCGR (0.47) GCGRGIPRGLP1RHDAC1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed